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Chemical ID: 5175095
Chemical ID:
5175095
Name [?]:
(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methanol
SMILES [?]:
CC1=CCC2C(CCCC2(C1CO)C)(C)C
InChi [?]:
InChI=1/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,8,3,4,7,9,12,2,11,5,6,10,13/E:(2,3)/rA:16cCCCCCCCCCCCCOCCC/rB:s1;d2;s3;s4;s5;s6;s7;s8;s5s9;s2s10;s11;s12;s10;s6;s6;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.04598 |
Area: | 374.392 |
Solvation: | -1.31381 |
Coulombic: | -19.7051 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 222.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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